Information card for entry 2021846

Structure parameters

• Chemical name: [μ-Bis(2,6-diisopropylphenyl) phosphato-1κ<i>O</i>:2κ<i>O</i>']bis[bis(2,6-diisopropylphenyl) phosphato]-1κ<i>O</i>,2κ<i>O</i>-chlorido-2κ<i>Cl</i>-triethanol-1κ^2^<i>O</i>,2κ<i>O</i>-di-μ-ethanolato-1κ^2^<i>O</i>:2κ^2^<i>O</i>-dichromium(<i>Cr</i>—<i>Cr</i>) ethanol monosolvate
• Formula: C84 H136 Cl Cr2 O18 P3
• Calculated formula: C84 H136 Cl Cr2 O18 P3
• Title of publication: Chromium complexes bearing disubstituted organophosphate ligands and their use in ethylene polymerization
• Authors of publication: Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Komarov, Pavel D.; Vinogradov, Alexey A.; Churakov, Andrei V.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 1
• Pages of publication: 93 - 103
• a: 15.4994 ± 0.001 Å
• b: 23.1995 ± 0.0016 Å
• c: 25.5787 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9197.5 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes